64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=2216.8303931432242 stress="-8971.619267881575 -3714.337166138843 -2170.900126865061 -3714.337166138843 -8839.838359221376 -2546.49923089438 -2170.900126865061 -2546.49923089438 -9207.912036599233" pbc="F F F" Rn -0.14297734 0.06456798 -0.23259698 -28.77620342 -44.84216516 -64.20591215 Rn 0.46487106 1.01146797 1.12303189 27.40824466 36.23583047 56.00665280 Rn 3.05700269 2.08112334 0.06284663 0.00488861 -0.03260319 0.06277830 Rn 4.17506379 4.25067888 1.48536510 -6.58590064 3.56202284 -2.41033023 Rn 2.50123006 0.08291729 2.98281898 -2077.67892899 -1821.63332051 -719.10397917 Rn 3.48071920 0.94173916 3.32182132 2074.96206865 1823.87322283 715.59983294 Rn 0.70176020 2.47547736 2.51681216 -29.92517622 -38.38508902 -37.20316567 Rn 1.47161081 3.62941460 3.63300455 30.67880776 42.84558364 46.47584102 Rn 5.77401047 0.02261332 0.51639825 -30.08172920 -257.51338698 -116.35305479 Rn 5.94244310 1.47795802 1.17347146 -45.83576347 170.60619792 211.83700406 Rn 6.80238649 2.42002062 0.07315348 76.84183528 84.62436380 -98.77177498 Rn 8.99601005 2.95416599 1.34136458 0.21087277 0.07717363 0.20135245 Rn 7.34367770 -0.16772701 2.59796332 -11.73590419 -10.24510759 -10.30129767 Rn 8.59151206 0.87265966 3.70826974 12.00879482 10.09638688 10.73297852 Rn 5.06772444 2.83424805 2.66259376 -30.23765430 -76.22044057 -71.46771718 Rn 5.58166534 3.92437020 3.89266272 320.21071058 -249.41394636 -378.87976684 Rn 0.17991161 4.92000059 -0.08683751 -0.55263591 -1.86916035 -1.15836599 Rn 0.56067147 6.78091134 1.23895288 -213.44073116 -37.32049848 187.72774721 Rn 1.72516831 6.97997072 0.16188833 219.26662208 37.79287454 -202.56437914 Rn 3.81885747 9.05162086 1.84919846 -5.83019264 12.67136504 -2.22909895 Rn 2.09374602 4.92977769 1.95962894 -1.26644620 2.70550164 -2.10841765 Rn 4.13972402 5.68054530 4.05220219 -195.95611421 255.35492794 -243.17865965 Rn -0.09498849 7.00003801 3.09952430 -28.41887988 28.98322200 -10.37868655 Rn 1.07121022 8.68831548 3.83905100 -6.15042547 8.52197189 -2.59148871 Rn 5.50413309 5.17512664 0.12932151 -576.59614920 -215.06798041 -542.86069408 Rn 6.55146207 5.56825058 1.09946652 -740.10590863 766.68628290 -3736.16802587 Rn 7.26576599 7.17327022 0.14874334 3.66760352 10.38820758 -7.97717696 Rn 8.72347924 8.82450421 0.58131943 1.97411696 2.23681371 0.62087069 Rn 6.93021047 5.40669005 2.33212855 1315.34375168 -561.37637265 4281.10031655 Rn 8.48129433 6.57793595 3.80699077 14.82742393 -6.53777366 -11.16722128 Rn 4.64318626 7.24599358 2.17115705 5.80942712 -12.35928769 1.85333229 Rn 6.58745017 8.46203274 3.85817633 -34.10352315 86.20879096 -80.25400609 Rn 0.04040138 -0.01352407 4.73260934 -0.96192997 -1.00676539 -0.86705733 Rn 1.43705941 1.44805896 5.90872731 -350.64632494 -545.78818062 110.40888748 Rn 2.24015564 2.69656223 5.65644616 -2112.23692819 -3736.68710593 -1856.50597007 Rn 2.84432639 3.74646173 6.08475837 2461.82277516 4278.06149522 1736.47892488 Rn 2.42783259 -0.14012359 7.54059124 0.24760878 -0.47294203 0.32304916 Rn 3.26947732 1.91317255 9.13991891 0.03728601 0.11129686 0.00378933 Rn 0.19808336 2.96139296 7.43682841 -4.46144033 -4.49900994 -2.70810115 Rn 1.40200778 4.42096366 8.37898893 -24.20362090 3.13863728 10.38226560 Rn 4.53940074 -0.11194752 4.89692253 2.32455048 -2.41004936 3.51111503 Rn 6.26881018 0.95877574 6.62441205 0.43115032 -4.95913779 -0.98395453 Rn 7.35424792 2.82753078 5.74373953 -1.15066655 -2.88116703 -4.64485509 Rn 8.77865252 4.16934305 6.72466390 2609.16778904 -826.80685810 -1203.58395512 Rn 7.80660978 -0.32968314 7.83779809 -8.50159794 -26.69997575 -7.57553413 Rn 8.43988721 1.38204960 8.39452074 9.56034731 25.90257533 8.39476362 Rn 5.32827860 2.87223433 6.99122470 -5.35448827 3.15717191 -4.09719728 Rn 6.03693663 3.31644618 8.95611675 1.87509887 1.16039329 5.82493191 Rn 0.75508603 5.72109162 4.12650700 18.52127514 -29.37681651 20.20320426 Rn 1.14626208 6.16741979 6.19943060 0.96201715 1.05619966 5.20129608 Rn 2.71293129 7.74259357 4.62485841 8.12029023 -5.01273749 3.70484289 Rn 4.28624949 8.99790889 6.05265927 -5.57499969 10.83705650 -7.27258693 Rn 3.24714626 4.53641881 7.91506222 21.06616130 -18.75042872 -3.70746421 Rn 3.90107137 6.25938500 8.42349058 7.20998012 22.82823484 9.91259804 Rn 0.02490109 8.00786501 8.19913778 -0.57107216 -0.30807816 -0.24615008 Rn 2.11151256 9.04676299 9.04211784 0.62768467 0.25669887 0.20195520 Rn 4.89498229 4.69156103 4.99915230 -98.47793842 52.34760204 695.73778708 Rn 5.85516133 6.21264237 5.85181186 -20.91548787 -31.28382367 20.98013546 Rn 7.06169666 7.25938734 4.97961080 55.64138910 -48.21513832 65.97701696 Rn 8.87109871 9.05673251 6.25748028 -0.02104564 -0.01515327 0.00914861 Rn 7.60904224 4.54158086 7.26565220 -2606.03506001 831.00512216 1206.56807823 Rn 8.58437201 6.29973409 8.96428331 0.05403556 0.17136970 0.12376138 Rn 5.13467030 7.52786121 7.12700252 -0.50386211 1.82352109 14.18317445 Rn 6.07694805 8.79226586 8.63155951 2.01012221 2.66238573 3.17661303